UCSF

ZINC43470200

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 34 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.73 11.19 -11.44 0 8 0 82 476.566 7

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81338-3-O T-cells (cluster #3 Of 3), Other Other 1730 0.24 Functional ≤ 10μM
Z81338-3-O T-cells (cluster #3 Of 3), Other Other 3590 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81338 Z81338 T-cells 1730 0.24 Functional ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )